Synthesis, crystal structure and Hirshfeld surface analysis of ethyl ( E )-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate
Year: 2025
Type: article
Abstract: In the molecule of the title compound, C 17 H 16 N 2 O 3 , the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyanoacrylate moiety is in E - configuration. In the crystal, there are no intermolecular hydrogen-bonding or C—H...π(ring) interactions, only a π–π interaction between the parallel isoxazol rings with centroid-to-centroid distance of 3.4932 (9) Å (α = 0.02°). The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (43.9%), H...N/N...H (17.0%), H...O/O...H (13.9%) and C...C (10.1%) interactions.
Institutions: National Academy of Sciences of Belarus, Peoples' Friendship University of Russia, Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences, Hacettepe University, Azerbaijan Medical University, Baku Engineering University, Khazar University, Hadhramout University
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
Awards: G213334419, G6412845564
OpenAlex ID: W4413305012